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7-(N-BENZYLPIPERIDIN-4-YL-2-ETHYLAMIDO)-N-ACETYL-ALPHA-AMINO-PIMELIC-ACID-1-ETHYLESTER
SpectraBase Compound ID 5P3LxesrZwA
InChI InChI=1S/C25H39N3O4/c1-3-32-25(31)23(27-20(2)29)11-7-8-12-24(30)26-16-13-21-14-17-28(18-15-21)19-22-9-5-4-6-10-22/h4-6,9-10,21,23H,3,7-8,11-19H2,1-2H3,(H,26,30)(H,27,29)/t23-/m0/s1
InChIKey NFLBVYQASPBWHV-QHCPKHFHSA-N
Mol Weight 445.6 g/mol
Molecular Formula C25H39N3O4
Exact Mass 445.294057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Y9OTtsIaEf
Name 7-(N-BENZYLPIPERIDIN-4-YL-2-ETHYLAMIDO)-N-ACETYL-ALPHA-AMINO-PIMELIC-ACID-1-ETHYLESTER
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H39N3O4
InChI InChI=1S/C25H39N3O4/c1-3-32-25(31)23(27-20(2)29)11-7-8-12-24(30)26-16-13-21-14-17-28(18-15-21)19-22-9-5-4-6-10-22/h4-6,9-10,21,23H,3,7-8,11-19H2,1-2H3,(H,26,30)(H,27,29)/t23-/m0/s1
InChIKey NFLBVYQASPBWHV-QHCPKHFHSA-N
Literature Reference Author A.MARTINEZ,C.LANOT,C.PEREZ,A.CASTRO,P.LOPEZ-SERRANO,S.CONDE
Literature Reference Citation BIOORG.MED.CHEM.,8,731(2000)
Literature Reference DOI 10.1016/S0968-0896(00)00020-1
Molecular Weight 445.602 g/mol
Solvent CDCl3
Source File Reference UWVN20177